(S)-N-(alpha-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide

HCID 12968614
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Basic information

Standard SMILES
CC[C@H](NC(=O)c1c(OCCNC(=O)CCC(=O)O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIKey
JMITZLAEEUNKAI-DEOSSOPVSA-N
Molecular formula
C31H31N3O5
Average molar mass
525.6 g/mol
Monoisotopic mass
525.2263711

Names & identifiers

Preferred name
(S)-N-(alpha-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide
IUPAC
4-oxo-4-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylamino]butanoic acid

Names & synonyms

SCHEMBL7686114JMITZLAEEUNKAI-DEOSSOPVSA-N(S)-N-(a-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide(S)-N-(alpha-ethylbenzyl)-3-[2-(3 carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide(S)-N-(alpha-ethylbenzyl)-3-[2-(3-carboxypropanoyl)aminoethoxy]-2-phenylquinoline-4-carboxamide

Database identifiers

PubChem CID
12968614

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
118 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
39

Related reactions

1 records
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Compound notes

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